Molecule

ID:135474

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁N
Molecular Mass
179.30184
Exact Mass
179.16739968
Charge
0
InChI
InChI=1S/C12H21N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKey
FXBJYRVIFGLPBC-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CN(CC(=C)C)CC(=C)C
Isomeric Smiles
CC(=C)CN(CC(=C)C)CC(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.050982025
LogD (pH = 7.4)
1.5730978
Log P
3.1140027
Molar Refractivity
60.3222
Polarizability
23.738333
Polar Surface Area
3.24
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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